5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine

C13H23N3O2 — CID 104533784

IUPAC5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(N(CCOC)C(C)COC)c1
InChIInChI=1S/C13H23N3O2/c1-11(10-18-4)16(5-6-17-3)13-7-12(14-2)8-15-9-13/h7-9,11,14H,5-6,10H2,1-4H3
InChIKeyNLHIYRHVAQSXKC-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.61
Rot. Bonds8

About 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine

5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine (PubChem CID 104533784) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine
PubChem CID104533784
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(N(CCOC)C(C)COC)c1
InChIInChI=1S/C13H23N3O2/c1-11(10-18-4)16(5-6-17-3)13-7-12(14-2)8-15-9-13/h7-9,11,14H,5-6,10H2,1-4H3
InChIKeyNLHIYRHVAQSXKC-UHFFFAOYSA-N
XLogP1.61
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N,5-N-bis(2-methoxyethyl)-3-N-methylpyridine-3,5-diamine
CID 113423780
5-N-(2-methoxyethyl)-5-N-propan-2-yl-3-N-propylpyridine-3,5-diamine
CID 113424214
3-N-methyl-5-N-propan-2-yl-5-N-propylpyridine-3,5-diamine
CID 104532814
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)pyridin-4-amine
CID 62289768
5-(1-methoxypropan-2-yloxy)-N-methylpyridin-3-amine
CID 104536802
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80942440
5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine
CID 104534857
4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile
CID 55156482
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 80629569
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-(methylaminomethyl)pyridin-2-amine
CID 62289399
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-methylpyridine-2,5-diamine
CID 79175638
3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine
CID 104532476

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine (CID 104533784) is 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine is CNc1cncc(N(CCOC)C(C)COC)c1.
What is the InChIKey of 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine?
The InChIKey is NLHIYRHVAQSXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11(10-18-4)16(5-6-17-3)13-7-12(14-2)8-15-9-13/h7-9,11,14H,5-6,10H2,1-4H3.
What are the key properties of 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine?
5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine has a molecular weight of 253.35 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104533784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).